Ethanol → HCID 178431552, compound
Reaction equation
[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:55][CH2:56][OH:57].[CH:1]1([NH:4][C:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([B:13]([OH:14])[OH:15])[cH:11][cH:12]2)=[O:16])[CH2:2][CH2:3]1.[Cl:23][c:24]1[n:25][c:26]([N:37]2[CH:38]([CH3:43])[CH2:39][O:40][CH2:41][CH2:42]2)[cH:27][c:28]([CH2:30][S:31](=[O:32])(=[O:33])[CH:34]2[CH2:35][CH2:36]2)[n:29]1.[Na+:17].[Na+:18].[O-:19][C:20](=[O:21])[O-:22].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:58].[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[CH:1]1([NH:4][C:5]([NH:6][c:7]2[cH:8][cH:9][c:10](-[c:24]3[n:25][c:26]([N:37]4[CH:38]([CH3:43])[CH2:39][O:40][CH2:41][CH2:42]4)[cH:27][c:28]([CH2:30][S:31](=[O:32])(=[O:33])[CH:34]4[CH2:35][CH2:36]4)[n:29]3)[cH:11][cH:12]2)=[O:16])[CH2:2][CH2:3]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-bbf4d58b50d04488b1ec13731a128ed1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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